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4Q18
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BU of 4q18 by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 4 [1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol]
分子名称: 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4YYX
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BU of 4yyx by Molmil
Crystal structure of the ZO-1 PDZ1 domain in complex with the 7-mer Claudin2 C-terminal tail
分子名称: FORMIC ACID, Tight junction protein ZO-1 fused with Claudin-2 C-terminal
著者Nomme, J, Lavie, A.
登録日2015-03-24
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Basis of a Key Factor Regulating the Affinity between the Zonula Occludens First PDZ Domain and Claudins.
J.Biol.Chem., 290, 2015
3TSZ
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BU of 3tsz by Molmil
crystal structure of PDZ3-SH3-GUK core module from human ZO-1 in complex with 12mer peptide from human JAM-A cytoplasmic tail
分子名称: Junctional adhesion molecule A, Tight junction protein ZO-1
著者Nomme, J, Lavie, A.
登録日2011-09-13
公開日2011-10-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献The Src Homology 3 Domain Is Required for Junctional Adhesion Molecule Binding to the Third PDZ Domain of the Scaffolding Protein ZO-1.
J.Biol.Chem., 286, 2011
3TSW
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BU of 3tsw by Molmil
crystal structure of the PDZ3-SH3-GUK core module of Human ZO-1
分子名称: SULFATE ION, Tight junction protein ZO-1
著者Nomme, J, Lavie, A.
登録日2011-09-13
公開日2011-10-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.847 Å)
主引用文献The Src Homology 3 Domain Is Required for Junctional Adhesion Molecule Binding to the Third PDZ Domain of the Scaffolding Protein ZO-1.
J.Biol.Chem., 286, 2011
3TSV
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BU of 3tsv by Molmil
crystal structure of the third PDZ domain of the human ZO-1 MAGUK protein
分子名称: Tight junction protein ZO-1
著者Nomme, J, Lavie, A.
登録日2011-09-13
公開日2011-10-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.989 Å)
主引用文献The Src Homology 3 Domain Is Required for Junctional Adhesion Molecule Binding to the Third PDZ Domain of the Scaffolding Protein ZO-1.
J.Biol.Chem., 286, 2011
4JLJ
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BU of 4jlj by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the F2.1.1 inhibitor (2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-1,3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE)
分子名称: 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2013-03-12
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural characterization of new deoxycytidine kinase inhibitors rationalizes the affinity-determining moieties of the molecules.
Acta Crystallogr.,Sect.D, 70, 2014
4JLN
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BU of 4jln by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the F2.4.1 inhibitor (2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5-PROPYL-1,3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE)
分子名称: 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2013-03-12
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural characterization of new deoxycytidine kinase inhibitors rationalizes the affinity-determining moieties of the molecules.
Acta Crystallogr.,Sect.D, 70, 2014
4JLM
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BU of 4jlm by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the F2.3.1 inhibitor (2-[({5-ETHYL-2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-1,3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE)
分子名称: 2-[({5-ethyl-2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2013-03-12
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural characterization of new deoxycytidine kinase inhibitors rationalizes the affinity-determining moieties of the molecules.
Acta Crystallogr.,Sect.D, 70, 2014
4Q1E
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BU of 4q1e by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 10 {2-{[(1R/S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol 4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine}
分子名称: (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, (S)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, ...
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q1A
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BU of 4q1a by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 6 {2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol}
分子名称: 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q1C
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BU of 4q1c by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 8 {2,2'-[{4-[(2R)-4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-2,3-dihydro-1,3-thiazol-2-yl]benzene-1,2-diyl}bis(oxy)]diethanol}
分子名称: 2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol), Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q1F
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BU of 4q1f by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 12R {N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide}
分子名称: Deoxycytidine kinase, N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q1D
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BU of 4q1d by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 9 {2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine}
分子名称: (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q1B
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BU of 4q1b by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 7 {N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide}
分子名称: Deoxycytidine kinase, N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q19
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BU of 4q19 by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 5 {5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL)SULFANYL]METHYL}-5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOL}
分子名称: 5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4O0D
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BU of 4o0d by Molmil
Crystal structure of the human L-asparaginase protein T168S mutant
分子名称: GLYCINE, Isoaspartyl peptidase/L-asparaginase, SODIUM ION
著者Nomme, J, Lavie, A.
登録日2013-12-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis.
J.Mol.Biol., 426, 2014
4O0E
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BU of 4o0e by Molmil
Crystal structure of the human L-asparaginase protein T186V mutant
分子名称: Isoaspartyl peptidase/L-asparaginase, SODIUM ION
著者Nomme, J, Lavie, A.
登録日2013-12-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis.
J.Mol.Biol., 426, 2014
4O0F
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BU of 4o0f by Molmil
Crystal structure of the human L-asparaginase protein T219A mutant
分子名称: GLYCINE, Isoaspartyl peptidase/L-asparaginase, SODIUM ION
著者Nomme, J, Lavie, A.
登録日2013-12-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis.
J.Mol.Biol., 426, 2014
4O0C
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BU of 4o0c by Molmil
High resolution crystal structure of uncleaved human L-asparaginase protein
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Isoaspartyl peptidase/L-asparaginase, ...
著者Nomme, J, Lavie, A.
登録日2013-12-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis.
J.Mol.Biol., 426, 2014
4O0G
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BU of 4o0g by Molmil
Crystal structure of the human L-asparaginase protein T219V mutant
分子名称: Isoaspartyl peptidase/L-asparaginase, SODIUM ION
著者Nomme, J, Lavie, A.
登録日2013-12-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis.
J.Mol.Biol., 426, 2014
4O0H
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BU of 4o0h by Molmil
Crystal structure of human L-asparaginase protein with covalently linked substrate L-asparagine
分子名称: BETA-L-ASPARTIC ACID, Isoaspartyl peptidase/L-asparaginase, SODIUM ION
著者Nomme, J, Lavie, A.
登録日2013-12-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis.
J.Mol.Biol., 426, 2014
4OEO
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BU of 4oeo by Molmil
High resolution crystal structure of the unliganded ZO-1 PDZ1 domain
分子名称: ACETATE ION, DODECAETHYLENE GLYCOL, SULFATE ION, ...
著者Nomme, J, Lavie, A.
登録日2014-01-13
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis of a Key Factor Regulating the Affinity between the Zonula Occludens First PDZ Domain and Claudins.
J.Biol.Chem., 290, 2015
4PVR
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BU of 4pvr by Molmil
Crystal structure of partially-cleaved human l-asparaginase protein in complex with l-aspartate
分子名称: ASPARTIC ACID, Isoaspartyl peptidase/L-asparaginase, SODIUM ION
著者Nomme, J, Lavie, A.
登録日2014-03-18
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structures of apo and product-bound human L-asparaginase: insights into the mechanism of autoproteolysis and substrate hydrolysis.
Biochemistry, 51, 2012
4PVS
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BU of 4pvs by Molmil
Crystal structure of fully-cleaved human l-asparaginase protein in complex with l-aspartate
分子名称: ASPARTIC ACID, Isoaspartyl peptidase/L-asparaginase, SODIUM ION
著者Nomme, J, Lavie, A.
登録日2014-03-18
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structures of apo and product-bound human L-asparaginase: insights into the mechanism of autoproteolysis and substrate hydrolysis.
Biochemistry, 51, 2012
4OEP
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BU of 4oep by Molmil
Crystal structure of the ZO-1 PDZ1 domain in complex with the 7-mer Claudin1 C-terminal tail
分子名称: ACETATE ION, DODECAETHYLENE GLYCOL, Tight junction protein ZO-1
著者Nomme, J, Lavie, A.
登録日2014-01-13
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis of a Key Factor Regulating the Affinity between the Zonula Occludens First PDZ Domain and Claudins.
J.Biol.Chem., 290, 2015

 

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